1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione

C13H22N2O3 — CID 62932920

IUPAC1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC(O)CNC2CC2)C(=O)C1
InChIInChI=1S/C13H22N2O3/c1-13(2)5-11(17)15(12(18)6-13)8-10(16)7-14-9-3-4-9/h9-10,14,16H,3-8H2,1-2H3
InChIKeyMGBCICFHASKXIW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.27
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione

1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 62932920) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID62932920
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC(O)CNC2CC2)C(=O)C1
InChIInChI=1S/C13H22N2O3/c1-13(2)5-11(17)15(12(18)6-13)8-10(16)7-14-9-3-4-9/h9-10,14,16H,3-8H2,1-2H3
InChIKeyMGBCICFHASKXIW-UHFFFAOYSA-N
XLogP0.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione (CID 62932920) is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CC(O)CNC2CC2)C(=O)C1.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is MGBCICFHASKXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2)5-11(17)15(12(18)6-13)8-10(16)7-14-9-3-4-9/h9-10,14,16H,3-8H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 254.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 62932920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).